SCHEMBL137083

SCHEMBL137083

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)NCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.43
RPTOR Q8N122 14/20 0.43
MLST8 Q9BVC4 14/20 0.43
PIK3CA P42336 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CSF1R P07333 1/20 0.43
PRKDC P78527 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL136183 0.96 MTOR (0.43) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL29828712 0.96 MTOR (0.43) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL138706 0.83 MTOR (0.41) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL29522635 0.83 MTOR (0.41) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL138241 0.81 MTOR (0.55) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL138359 0.81 MTOR (0.55) MTORRPTORMLST8PIK3CAPDE3B
SCHEMBL138944 0.79 MTOR (0.41) MTORRPTORMLST8PIK3CAPDE3B
Hydrochloric Acid SCHEMBL153775 0.78 MTOR (0.40) MTORRPTORMLST8PIK3CAPDE3B
Hydrochloric Acid SCHEMBL29522568 0.78 MTOR (0.40) MTORRPTORMLST8PIK3CAPDE3B
Cc-115 SCHEMBL135765 0.78 MTOR (0.72) MTORRPTORMLST8PIK3CAPDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 78/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.